2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one

C28H26N4O5 — CID 46149497

IUPAC2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
SMILESCOc1ccc(-n2ncc(Oc3ccccc3)c(Nc3cccc(C(=O)N4CCOCC4)c3)c2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-35-23-12-10-22(11-13-23)32-28(34)26(25(19-29-32)37-24-8-3-2-4-9-24)30-21-7-5-6-20(18-21)27(33)31-14-16-36-17-15-31/h2-13,18-19,30H,14-17H2,1H3
InChIKeyBDDCDCKLVJKYOR-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.25
Rot. Bonds7

About 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one

2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one (PubChem CID 46149497) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
PubChem CID46149497
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
SMILESCOc1ccc(-n2ncc(Oc3ccccc3)c(Nc3cccc(C(=O)N4CCOCC4)c3)c2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-35-23-12-10-22(11-13-23)32-28(34)26(25(19-29-32)37-24-8-3-2-4-9-24)30-21-7-5-6-20(18-21)27(33)31-14-16-36-17-15-31/h2-13,18-19,30H,14-17H2,1H3
InChIKeyBDDCDCKLVJKYOR-UHFFFAOYSA-N
XLogP4.25
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
CID 46147918
5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
CID 46006326
2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
CID 46000907
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
2-benzyl-5-phenoxy-4-[3-(piperidine-1-carbonyl)anilino]pyridazin-3-one
CID 46149320
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758
3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one (CID 46149497) is 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one is COc1ccc(-n2ncc(Oc3ccccc3)c(Nc3cccc(C(=O)N4CCOCC4)c3)c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one?
The InChIKey is BDDCDCKLVJKYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-35-23-12-10-22(11-13-23)32-28(34)26(25(19-29-32)37-24-8-3-2-4-9-24)30-21-7-5-6-20(18-21)27(33)31-14-16-36-17-15-31/h2-13,18-19,30H,14-17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one?
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one has a molecular weight of 498.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one is sourced from PubChem (CID 46149497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).